COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472705
Chemical Name: propan-2-yl2-({(2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(o1)c1ccccc1Cl)/C(=O)Nc1sccc1C(=O)OC(C)C

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Molecular Weight: 440.91
Empirical Formula: C22H17ClN2O4S

Physical State: Dry powder
Available Amount: 377 mg

Lipinsky:
logP: 7.562
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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